HRID1548165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID713

Formamide

CH3NO

HCID923

Sodium ion

Na+

HCID7918

Acetic anhydride

C4H6O3

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31272

Butyl acetate

C6H12O2

结构：CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Br)cc1

HCID23341444

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1

HCID3015822

2-((4-(Diethylamino)phenyl)azo)-5-nitrobenzonitrile

C17H17N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8064b0a5c3644aaca4add6b9f8e6ed58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[c:3]([N:11]=[N:12][c:13]2[cH:14][cH:15][c:16]([N:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[cH:17][cH:18]2)[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[C:41]([O:42][CH2:43][CH2:44][CH2:45][CH3:46])(=[O:47])[CH3:48].[CH3:25][C:26](=[O:27])[O-:28].[CH3:32][C:33]([O:34][C:35](=[O:36])[CH3:37])=[O:38].[CH:29](=[O:30])[NH2:31].[Cu:39][I:40].[Na+:24]>>[c:2]1([C:29]#[N:31])[c:3]([N:11]=[N:12][c:13]2[cH:14][cH:15][c:16]([N:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[cH:17][cH:18]2)[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1